2-amino-5-methyl-3,4a,7,7a-tetrahydropyrrolo[2,3-d]pyrimidin-4-one

C7H10N4O — CID 166638391

IUPAC2-amino-5-methyl-3,4a,7,7a-tetrahydropyrrolo[2,3-d]pyrimidin-4-one
SMILESCC1=CNC2N=C(N)NC(=O)C12
InChIInChI=1S/C7H10N4O/c1-3-2-9-5-4(3)6(12)11-7(8)10-5/h2,4-5,9H,1H3,(H3,8,10,11,12)
InChIKeyCNRGISRDKCUCNS-UHFFFAOYSA-N
MW166.18 g/mol
LogP-1.12
Rot. Bonds

About 2-amino-5-methyl-3,4a,7,7a-tetrahydropyrrolo[2,3-d]pyrimidin-4-one

2-amino-5-methyl-3,4a,7,7a-tetrahydropyrrolo[2,3-d]pyrimidin-4-one (PubChem CID 166638391) has the molecular formula C7H10N4O and a molecular weight of 166.18 g/mol. Its IUPAC name is 2-amino-5-methyl-3,4a,7,7a-tetrahydropyrrolo[2,3-d]pyrimidin-4-one.

Molecular Properties

Compound Name2-amino-5-methyl-3,4a,7,7a-tetrahydropyrrolo[2,3-d]pyrimidin-4-one
PubChem CID166638391
Molecular FormulaC7H10N4O
Molecular Weight166.18 g/mol
Exact Mass166.09
IUPAC Name2-amino-5-methyl-3,4a,7,7a-tetrahydropyrrolo[2,3-d]pyrimidin-4-one
SMILESCC1=CNC2N=C(N)NC(=O)C12
InChIInChI=1S/C7H10N4O/c1-3-2-9-5-4(3)6(12)11-7(8)10-5/h2,4-5,9H,1H3,(H3,8,10,11,12)
InChIKeyCNRGISRDKCUCNS-UHFFFAOYSA-N
XLogP-1.12
TPSA79.51 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.18
LogP ≤ 5-1.12
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-amino-5-methyl-3,4a,7,7a-tetrahydropyrrolo[2,3-d]pyrimidin-4-one?
The IUPAC name of 2-amino-5-methyl-3,4a,7,7a-tetrahydropyrrolo[2,3-d]pyrimidin-4-one (CID 166638391) is 2-amino-5-methyl-3,4a,7,7a-tetrahydropyrrolo[2,3-d]pyrimidin-4-one.
What is the SMILES notation for 2-amino-5-methyl-3,4a,7,7a-tetrahydropyrrolo[2,3-d]pyrimidin-4-one?
The canonical SMILES for 2-amino-5-methyl-3,4a,7,7a-tetrahydropyrrolo[2,3-d]pyrimidin-4-one is CC1=CNC2N=C(N)NC(=O)C12.
What is the InChIKey of 2-amino-5-methyl-3,4a,7,7a-tetrahydropyrrolo[2,3-d]pyrimidin-4-one?
The InChIKey is CNRGISRDKCUCNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N4O/c1-3-2-9-5-4(3)6(12)11-7(8)10-5/h2,4-5,9H,1H3,(H3,8,10,11,12).
What are the key properties of 2-amino-5-methyl-3,4a,7,7a-tetrahydropyrrolo[2,3-d]pyrimidin-4-one?
2-amino-5-methyl-3,4a,7,7a-tetrahydropyrrolo[2,3-d]pyrimidin-4-one has a molecular weight of 166.18 g/mol, XLogP of -1.12, 0 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5-methyl-3,4a,7,7a-tetrahydropyrrolo[2,3-d]pyrimidin-4-one is sourced from PubChem (CID 166638391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).